SCHEMBL16303142

SCHEMBL16303142

Cc1cc(O)ccc1C1(c2cc([18F])c(O)cc2C)OS(=O)(=O)c2ccccc21

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 3/20 0.68
CYP3A4 P08684 2/20 0.68
ALDH1A1 P00352 1/20 0.68
MAPK1 P28482 1/20 0.68
CDK2 P24941 1/20 0.61
LMNA P02545 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C9 P11712 2/20 0.51
HIF1A Q16665 2/20 0.51
PTPN11 Q06124 2/20 0.49
MAPT P10636 4/20 0.45
NPSR1 Q6W5P4 2/20 0.45
POLB P06746 2/20 0.45
ALOX12 P18054 1/20 0.45
GPR55 Q9Y2T6 1/20 0.45
CYP2C19 P33261 2/20 0.34
TP53 P04637 1/20 0.34
CYP2D6 P10635 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14905355 1.00 TDP1 (0.68) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL16303138 0.93 CYP3A4 (0.78) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL14905353 0.93 CYP3A4 (0.78) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL16303147 0.91 TDP1 (0.68) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL16303148 0.90 CYP3A4 (0.73) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL29369363 0.89 TDP1 (0.71) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL220836 0.89 TDP1 (0.71) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL16303129 0.84 CYP3A4 (0.65) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL16303122 0.84 CYP3A4 (0.65) TDP1CYP3A4ALDH1A1MAPK1CDK2
SCHEMBL62880 0.81 CYP3A4 (1.00) TDP1CYP3A4ALDH1A1MAPK1CDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140369933-A1 FLUORINE-18 LABELED HYDROGEN ION PROBES THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA 2014-12-18 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20140369933-A1 FLUORINE-18 LABELED HYDROGEN ION PROBES FUCA2, FUCA1, CD68 TDP1 2425/4885CYP3A4 229/4885ALDH1A1 1232/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.